(3-bromo-5-chloro-2,4-dimethylphenyl)methanol

C9H10BrClO — CID 84803776

IUPAC(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
SMILESCc1c(Cl)cc(CO)c(C)c1Br
InChIInChI=1S/C9H10BrClO/c1-5-7(4-12)3-8(11)6(2)9(5)10/h3,12H,4H2,1-2H3
InChIKeyAQGFRJAWOXKWCB-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.21
Rot. Bonds1

About (3-bromo-5-chloro-2,4-dimethylphenyl)methanol

(3-bromo-5-chloro-2,4-dimethylphenyl)methanol (PubChem CID 84803776) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is (3-bromo-5-chloro-2,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
PubChem CID84803776
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
SMILESCc1c(Cl)cc(CO)c(C)c1Br
InChIInChI=1S/C9H10BrClO/c1-5-7(4-12)3-8(11)6(2)9(5)10/h3,12H,4H2,1-2H3
InChIKeyAQGFRJAWOXKWCB-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine
CID 84807110
(3-bromo-4-chloro-2-methylphenyl)methanol
CID 131627539
2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine
CID 84811084
(2-bromo-4,5-dichlorophenyl)methanol
CID 68615356
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
3-bromo-5-chloro-2,4-dimethylaniline
CID 84797130
(3-bromo-5-chloro-2,6-dimethylphenyl)methanol
CID 84803777
(4,5-dichloro-2-fluoro-3-methylphenyl)methanol
CID 163198260
2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol
CID 84770210
(5-chloro-4-iodo-2-methylphenyl)methanol
CID 171004062
5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785
2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 88540322

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2,4-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-5-chloro-2,4-dimethylphenyl)methanol (CID 84803776) is (3-bromo-5-chloro-2,4-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-chloro-2,4-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-5-chloro-2,4-dimethylphenyl)methanol is Cc1c(Cl)cc(CO)c(C)c1Br.
What is the InChIKey of (3-bromo-5-chloro-2,4-dimethylphenyl)methanol?
The InChIKey is AQGFRJAWOXKWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-5-7(4-12)3-8(11)6(2)9(5)10/h3,12H,4H2,1-2H3.
What are the key properties of (3-bromo-5-chloro-2,4-dimethylphenyl)methanol?
(3-bromo-5-chloro-2,4-dimethylphenyl)methanol has a molecular weight of 249.53 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2,4-dimethylphenyl)methanol is sourced from PubChem (CID 84803776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).